Sugi Predict

Sugi Predict / Compounds / SCHEMBL9111141

SCHEMBL9111141

SCHEMBL9111141

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(S[C@H]2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](Cc3ccccc3)C2)CC1Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 17/20 0.76
▸ TACR3 P29371 1/20 0.57
▸ USP2 O75604 2/20 0.45
▸ RHOC P08134 1/20 0.45
▸ RHOA P61586 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9113036 0.87 TACR1 (0.78) TACR1TACR3USP2RHOCRHOA
SCHEMBL9112230 0.87 TACR1 (0.78) TACR1TACR3USP2RHOCRHOA
SCHEMBL7459083 0.86 TACR1 (1.00) TACR1TACR3USP2RHOCRHOA
SCHEMBL8297226 0.86 TACR1 (1.00) TACR1TACR3USP2RHOCRHOA
SCHEMBL13818185 0.86 TACR1 (0.77) TACR1TACR3USP2RHOCRHOA
SCHEMBL13818184 0.84 TACR1 (0.74) TACR1TACR3USP2RHOCRHOA
SCHEMBL7610216 0.84 TACR1 (0.85) TACR1TACR3
SCHEMBL14422717 0.84 TACR1 (0.74) TACR1TACR3USP2RHOCRHOA
SCHEMBL7610214 0.84 TACR1 (0.85) TACR1TACR3
SCHEMBL7611641 0.82 TACR1 (1.00) TACR1TACR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995011895-A1 N-BENZOYL-4-OXY/THIO-2-SUBSTITUTED PIPERIDINES AS SUBSTANCE-P RECEPTOR ANTAGONISTS CIBA-GEIGY AG (CH) 1995-05-04 — — WO claimed